CHEBI:228553 - Sildenafil N-oxide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Sildenafil N-oxide
ChEBI ID CHEBI:228553
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H30N6O5S
Net Charge 0
Average Mass 490.580
Monoisotopic Mass 490.19984
InChI InChI=1S/C22H30N6O5S/c1-5-7-17-19-20(26(3)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)33-6-2)34(31,32)27-10-12-28(4,30)13-11-27/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
InChIKey JQGFLCMKCZPSEC-UHFFFAOYSA-N
SMILES S(=O)(=O)(N1CC[N+]([O-])(CC1)C)C2=CC(=C(OCC)C=C2)C=3NC(=O)C=4N(N=C(C4N3)CCC)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study
ChEBI Ontology
Outgoing Sildenafil N-oxide (CHEBI:228553) is a sulfonamide (CHEBI:35358)
IUPAC Name
5-[2-ethoxy-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)sulonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Manual Xref Database
27523930 ChemSpider
View more database links